(S)-methylmalonyl-CoA





Chemical Formula:
C25H35N7O19P3S
Molecular Weight:
862.568 Daltons
Monoisotopic Mass:
867.1312523603 Daltons
SMILES:
CC(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])C([O-])=O
InChI:
1S/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/p-5/t12-,13+,16+,17+,18-,22+/m0/s1

Synonyms
  • D-methylmalonyl-CoA
  • methyl-malonyl-coenzyme A
  • CH3-malonyl-CoA
  • (2S)-methyl-malonyl-CoA

Databases
BiGG:  mmcoa__S
PubChem (CID):  45266561
MetaboLights:  MTBLC57327
HMDB:  HMDB01269
ChEBI:  57327 15466
KEGG:  C00683
CAS:  104809-02-1
Reactome:  71019
MetaNetX:  MNXM89955
NIKKAJI:  J921.435F
LIPID MAPS:  LMFA07050164
PupChem (SID):  3952